2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K284-5030 |
| Compound Name: | 2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 587.06 |
| Molecular Formula: | C29 H26 Cl F3 N4 O2 S |
| Smiles: | C1CCN(CC1)c1ccc2c(c1)C(N(Cc1ccccc1)C(=N2)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4056 |
| logD: | 6.3857 |
| logSw: | -6.2703 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.675 |
| InChI Key: | JXQXJNLSPWTSBZ-UHFFFAOYSA-N |